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2,6-Dichloronitrobenzene

CAT: 0926-FD64612Size: 250 gDry Ice: NoHazardous: No
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CAT#:0926-FD64612Size:250 g
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CAS Number
601-88-7
MDL Number
MFCD00456795
Smiles
C1=CC (=C (C (=C1) Cl) [N+] (=O) [O-]) Cl
Molecular Formula
C6H3Cl2NO2
Molecular Weight
192 g/mol
Controlled
No

Chemical Information

1,3-Dichloro-2-nitrobenzene
CAS Number601-88-7
PubChem CID11759
IUPAC Name1,3-dichloro-2-nitrobenzene
Molecular FormulaC6H3Cl2NO2
Molecular Weight192.00
XLogP3
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity149
SMILES
C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H
InChIKey
VITSNECNFNNVQB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dichloro-2-nitrobenzene
CAS: 601-88-7
CID: 11759
Formula: C6H3Cl2NO2
MW: 192.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.00
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass190.9540837
Monoisotopic Mass190.9540837
Topological Polar Surface Area45.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity149
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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